We report here the calculations on electronic structures of mono- and bi-nuclear benzene - transition metal sandwich complexes by means of CNDO/2 program, on the basis of molecular orbital components, atomic net charg...We report here the calculations on electronic structures of mono- and bi-nuclear benzene - transition metal sandwich complexes by means of CNDO/2 program, on the basis of molecular orbital components, atomic net charges and bond orders, the bonding pictures are analysed and discussed.展开更多
The good quality CuInGaSe2 (CIGS) thin film solar cells were fabricated on molybdenum metal coated soda lime glass substrate. Three-stage co-evaporation method was utilized for the fabrication of high quality p-type C...The good quality CuInGaSe2 (CIGS) thin film solar cells were fabricated on molybdenum metal coated soda lime glass substrate. Three-stage co-evaporation method was utilized for the fabrication of high quality p-type CIGS thin film absorber layer. Further, n-type CdS layer, high resistive intrinsic ZnO layer and transparent conducting AlZnO layers were fabricated by CBD method and vacuum sputtering methods. We made three various top metal sandwich grid patterns, i.e. Al, Al/Cu and Cu/Al which were utilized to investigate the metal sandwich layer oriented efficiency enhancement superiority on CuInGaSe2 thin film solar cells. The investigated specific CIGS solar cell device efficiency with respect to various top metal grid sandwich patterns is presented and discussed.展开更多
The transmission and negative refractive index(NRI) of metal–dielectric–metal sandwiched metamaterials perforated with di?erent filling media of holes are numerically studied. Results indicate that filling the appro...The transmission and negative refractive index(NRI) of metal–dielectric–metal sandwiched metamaterials perforated with di?erent filling media of holes are numerically studied. Results indicate that filling the appropriate medium in rectangular holes can enhance transmission. The NRI and frequency bandwidth of NRI decrease with increased relative permittivity of the filling medium. A stronger magnetic response that contributes to the dual NRI metamaterials is found.展开更多
Light weight high performance sandwich composite structures have been used extensively in various load bearing applications.Experiments have shown that the indentation significantly reduces the load bearing capacity o...Light weight high performance sandwich composite structures have been used extensively in various load bearing applications.Experiments have shown that the indentation significantly reduces the load bearing capacity of sandwiched beams.In this paper,the indentation behavior of foam core sandwich beams without considering the globally axial and flexural deformation was analyzed using the principle of virtual velocities.A concisely theoretical solution of loading capacity and denting profile was presented.The denting load was found to be proportional to the square root of the denting depth.A finite element model was established to verify the prediction of the model.The load-indentation curves and the profiles of the dented zone predicted by theoretical model and numerical simulation are in good agreement.展开更多
In this paper the electronic configurations of n+1-decker transition metal sandwich com-plexes have been generally discussed by means of the structural rule of transition metalheterocarborans and the numbers of their ...In this paper the electronic configurations of n+1-decker transition metal sandwich com-plexes have been generally discussed by means of the structural rule of transition metalheterocarborans and the numbers of their valence bonding orbitals have been obtained as fol-lows: VBO = 6n + 3-6n + 5,which are not dependent on the properties of transition metal atoms and coordination rings.Then the results of EHMO quantum chemistry calculations of the model skeletons and cor-responding analyses on electronic configurations of actual molecules for double-, triple- andtetra-decker sandwich complexes have been discussed to verify the above formula.展开更多
A new sandwiched polyoxometalate [HK11Cd4Cl2（PW9034）2]·18H2O （1）, incor- porating a unique hybrid tetranuclear cadmium cluster （abbreviated to {Cd4}） with two trivacant polyanions [B-α-PW9O34]9-, has been ...A new sandwiched polyoxometalate [HK11Cd4Cl2（PW9034）2]·18H2O （1）, incor- porating a unique hybrid tetranuclear cadmium cluster （abbreviated to {Cd4}） with two trivacant polyanions [B-α-PW9O34]9-, has been hydrothermally synthesized and structurally characterized by elemental analyses, IR spectroscopy, UV-vis, and single-crystal X-ray diffraction analysis. Crystal data for 1： monoclinic, space group C2/c, a = 19.2997（4）, b = 13.8014（3）, c = 31.9819（8） A, β = 102.764（2）°, V= 8308.3（3） A3, Z = 4, P2O86Cl2K11Cd4W18H37, Mr = 5735.13, Dc = 4.584 mg-mm-3, F（000） = 10084, μ = 26.579 mm-1, the final R = 0.0378 and wR = 0.0989 for 6558 observed reflections （I〉 2σ（I））. X-ray crystallographic study shows that the molecular structure of 1 contains four cadmium atoms. Two CdO6 distorted octahedra and two CdOsC1 distorted octahedra combine with each other in turn via edge-sharing, resulting in a regular rhomb-like cluster sandwiched between two {B-a-PW9034} units. Further, the sandwich-type polyoxoanions were connected by K＋ ions to form a complicated 3-D open-framework through connecting with each terminal O atom of the [Cd4C12（PW9O34）2]12- polyoxoanions. In addition, compound 1 exhibits photoluminescence property at room temperature and the band gap can be assessed at 3.25 eV.展开更多
Two new isostructural multi-metal beryllium borates, m^3 Li Na4Be4B10O24F（M = Sr（1）, Cd（2））, have been synthesized by spontaneous crystallization. The structures were verified by single-crystal X-ray crystallogr...Two new isostructural multi-metal beryllium borates, m^3 Li Na4Be4B10O24F（M = Sr（1）, Cd（2））, have been synthesized by spontaneous crystallization. The structures were verified by single-crystal X-ray crystallography. The compounds crystallize in the trigonal space group R 3, with a = b = 9.4645（1） A, c = 38.842（8） A, V = 3013.2（6） A3, Z = 6, F（000） = 2568, Dc = 3.005 g/cm^3, Mr = 908.9, R = 0.0327, w R = 0.0678, μ = 8.160 mm-1 for Sr3 Li Na4Be4B10O24F and a = b = 9.3019（8） A, c = 37.782（7） A, V = 2831.12（9） A3, Z = 6, F（000） = 2748, Dc = 3.459 g/cm^3, Mr = 983.24, R = 0.0158, w R = 0.0455, μ = 3.586 mm-1 for Cd3 Li Na4Be4B10O24F. The structures are characterized by an infinite two-dimensional [Be8B16O40F2]∞ double layer bridged by [B12O24] groups like a sandwich structure, while the cations reside in tunnels along different directions. UV-vis-IR diffuse reflectance spectroscopy demonstrates that their cut-off edges are below 200 nm. Thermal analysis shows that they melt incongruently and their melting points are around 740-770 ℃.展开更多
文摘We report here the calculations on electronic structures of mono- and bi-nuclear benzene - transition metal sandwich complexes by means of CNDO/2 program, on the basis of molecular orbital components, atomic net charges and bond orders, the bonding pictures are analysed and discussed.
文摘The good quality CuInGaSe2 (CIGS) thin film solar cells were fabricated on molybdenum metal coated soda lime glass substrate. Three-stage co-evaporation method was utilized for the fabrication of high quality p-type CIGS thin film absorber layer. Further, n-type CdS layer, high resistive intrinsic ZnO layer and transparent conducting AlZnO layers were fabricated by CBD method and vacuum sputtering methods. We made three various top metal sandwich grid patterns, i.e. Al, Al/Cu and Cu/Al which were utilized to investigate the metal sandwich layer oriented efficiency enhancement superiority on CuInGaSe2 thin film solar cells. The investigated specific CIGS solar cell device efficiency with respect to various top metal grid sandwich patterns is presented and discussed.
基金supported by the National Natural Science Foundation of China(No.60778041)the Graduate Education Innovation Project of Jiangsu Province(No.CXLX13_39)
文摘The transmission and negative refractive index(NRI) of metal–dielectric–metal sandwiched metamaterials perforated with di?erent filling media of holes are numerically studied. Results indicate that filling the appropriate medium in rectangular holes can enhance transmission. The NRI and frequency bandwidth of NRI decrease with increased relative permittivity of the filling medium. A stronger magnetic response that contributes to the dual NRI metamaterials is found.
基金supported by the National Natural Science Foundation of China(90916026,10532020 and 10672156)the Chinese Academy of Sciences(KJCX2-EW-L03)
文摘Light weight high performance sandwich composite structures have been used extensively in various load bearing applications.Experiments have shown that the indentation significantly reduces the load bearing capacity of sandwiched beams.In this paper,the indentation behavior of foam core sandwich beams without considering the globally axial and flexural deformation was analyzed using the principle of virtual velocities.A concisely theoretical solution of loading capacity and denting profile was presented.The denting load was found to be proportional to the square root of the denting depth.A finite element model was established to verify the prediction of the model.The load-indentation curves and the profiles of the dented zone predicted by theoretical model and numerical simulation are in good agreement.
基金the National Natural Science Foundation of China.
文摘In this paper the electronic configurations of n+1-decker transition metal sandwich com-plexes have been generally discussed by means of the structural rule of transition metalheterocarborans and the numbers of their valence bonding orbitals have been obtained as fol-lows: VBO = 6n + 3-6n + 5,which are not dependent on the properties of transition metal atoms and coordination rings.Then the results of EHMO quantum chemistry calculations of the model skeletons and cor-responding analyses on electronic configurations of actual molecules for double-, triple- andtetra-decker sandwich complexes have been discussed to verify the above formula.
基金Supported by theNNSFC(No.51108122)Open Project of State Key Laboratory of Urban Water Resource and Environment,Harbin Institute of Technology(No.QA201025)+1 种基金Fundamental Research Funds for the Central Universities(No.HIT.NSRIF.2010053)Science and Technology Innovation Talents Special Foundation of Harbin(2010RFQXG035 and 2007RFXXG018)
文摘A new sandwiched polyoxometalate [HK11Cd4Cl2（PW9034）2]·18H2O （1）, incor- porating a unique hybrid tetranuclear cadmium cluster （abbreviated to {Cd4}） with two trivacant polyanions [B-α-PW9O34]9-, has been hydrothermally synthesized and structurally characterized by elemental analyses, IR spectroscopy, UV-vis, and single-crystal X-ray diffraction analysis. Crystal data for 1： monoclinic, space group C2/c, a = 19.2997（4）, b = 13.8014（3）, c = 31.9819（8） A, β = 102.764（2）°, V= 8308.3（3） A3, Z = 4, P2O86Cl2K11Cd4W18H37, Mr = 5735.13, Dc = 4.584 mg-mm-3, F（000） = 10084, μ = 26.579 mm-1, the final R = 0.0378 and wR = 0.0989 for 6558 observed reflections （I〉 2σ（I））. X-ray crystallographic study shows that the molecular structure of 1 contains four cadmium atoms. Two CdO6 distorted octahedra and two CdOsC1 distorted octahedra combine with each other in turn via edge-sharing, resulting in a regular rhomb-like cluster sandwiched between two {B-a-PW9034} units. Further, the sandwich-type polyoxoanions were connected by K＋ ions to form a complicated 3-D open-framework through connecting with each terminal O atom of the [Cd4C12（PW9O34）2]12- polyoxoanions. In addition, compound 1 exhibits photoluminescence property at room temperature and the band gap can be assessed at 3.25 eV.
基金supported by the National Natural Science Foundation of China(No.50972149,61138004,51402316)the National Instrumentation Program(No.2012YQ120048)
文摘Two new isostructural multi-metal beryllium borates, m^3 Li Na4Be4B10O24F（M = Sr（1）, Cd（2））, have been synthesized by spontaneous crystallization. The structures were verified by single-crystal X-ray crystallography. The compounds crystallize in the trigonal space group R 3, with a = b = 9.4645（1） A, c = 38.842（8） A, V = 3013.2（6） A3, Z = 6, F（000） = 2568, Dc = 3.005 g/cm^3, Mr = 908.9, R = 0.0327, w R = 0.0678, μ = 8.160 mm-1 for Sr3 Li Na4Be4B10O24F and a = b = 9.3019（8） A, c = 37.782（7） A, V = 2831.12（9） A3, Z = 6, F（000） = 2748, Dc = 3.459 g/cm^3, Mr = 983.24, R = 0.0158, w R = 0.0455, μ = 3.586 mm-1 for Cd3 Li Na4Be4B10O24F. The structures are characterized by an infinite two-dimensional [Be8B16O40F2]∞ double layer bridged by [B12O24] groups like a sandwich structure, while the cations reside in tunnels along different directions. UV-vis-IR diffuse reflectance spectroscopy demonstrates that their cut-off edges are below 200 nm. Thermal analysis shows that they melt incongruently and their melting points are around 740-770 ℃.
